1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid

C9H17N3O3 — CID 61402688

IUPAC1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESNCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H17N3O3/c10-5-6-11-8(15)12-9(7(13)14)3-1-2-4-9/h1-6,10H2,(H,13,14)(H2,11,12,15)
InChIKeyMBXRQBQVOWEUPZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.36
Rot. Bonds4

About 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 61402688) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID61402688
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESNCCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C9H17N3O3/c10-5-6-11-8(15)12-9(7(13)14)3-1-2-4-9/h1-6,10H2,(H,13,14)(H2,11,12,15)
InChIKeyMBXRQBQVOWEUPZ-UHFFFAOYSA-N
XLogP-0.36
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61203572
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866
1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106239374
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81163045
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 61402688) is 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid is NCCNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is MBXRQBQVOWEUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-5-6-11-8(15)12-9(7(13)14)3-1-2-4-9/h1-6,10H2,(H,13,14)(H2,11,12,15).
What are the key properties of 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of -0.36, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61402688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).